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SCHEMBL20699701

SCHEMBL20699701

CC(=O)c1ccc2c(c1)c(Br)c(C)n2C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRG2 P18507 2/20 0.39
▸ GABRB3 P28472 2/20 0.39
▸ GABRA5 P31644 2/20 0.39
▸ CCNB2 O95067 1/20 0.38
▸ CDK1 P06493 1/20 0.38
▸ CCNB1 P14635 1/20 0.38
▸ GSK3B P49841 1/20 0.38
▸ CCNB3 Q8WWL7 1/20 0.38
▸ GABRA1 P14867 1/20 0.37
▸ GABRA2 P47869 1/20 0.37
▸ GABRA6 Q16445 1/20 0.37
▸ GPR119 Q8TDV5 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ LMNA P02545 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ CHRM2 P08172 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19255038 0.85 CA12 (0.41) GABRG2GABRB3GABRA5MEN1KMT2A
SCHEMBL31370553 0.83 GABRG2 (0.42) GABRG2GABRB3GABRA5CCNB2CDK1
SCHEMBL31370521 0.82 KDM4E (0.43) MEN1KMT2ALMNAGAAMAPT
SCHEMBL29596267 0.81 GABRG2 (0.41) GABRG2GABRB3GABRA5CCNB2CDK1
SCHEMBL20699744 0.81 GABRG2 (0.41) GABRG2GABRB3GABRA5CCNB2CDK1
SCHEMBL716282 0.80 CHRM2 (0.48) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL29374715 0.80 CHRM2 (0.48) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL20699719 0.77 CACNA1B (0.37) GABRG2GABRB3GABRA5CCNB2CDK1
SCHEMBL18941218 0.75 CDK1 (0.49) GABRG2GABRB3GABRA5CCNB2CDK1
SCHEMBL1622922 0.75 AKR1C3 (0.42) GABRG2GABRB3GABRA5GPR119NPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109071533-B Halogenated allylamine indole and azaindole derivative inhibitors of lysyl oxidase and uses thereof 法玛西斯有限公司 2021-05-25 — — CN disclosed
US-20200317666-A1 HALOALLYLAMINE INDOLE AND AZAINDOLE DERIVATIVE INHIBITORS OF LYSYL OXIDASES AND USES THEREOF PHARMAXIS LTD. (AU) 2020-10-08 — — US disclosed
US-10717733-B2 Haloallylamine indole and azaindole derivative inhibitors of lysyl oxidases and uses thereof PHARMAXIS LTD. (AU) 2020-07-21 — — US disclosed
US-20190040007-A1 HALOALLYLAMINE INDOLE AND AZAINDOLE DERIVATIVE INHIBITORS OF LYSYL OXIDASES AND USES THEREOF PHARMAXIS LTD. (AU) 2019-02-07 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10717733-B2 Haloallylamine indole and azaindole derivative inhibitors of lysyl oxidases and uses thereof IDO1, IDO2, INMT GABRG2 4393/4885GABRB3 3548/4885GABRA5 3077/4885
US-20190040007-A1 HALOALLYLAMINE INDOLE AND AZAINDOLE DERIVATIVE INHIBITORS OF LYSYL OXIDASES AND USES THEREOF IDO1, IDO2, INMT GABRG2 4393/4885GABRB3 3548/4885GABRA5 3077/4885
US-20200317666-A1 HALOALLYLAMINE INDOLE AND AZAINDOLE DERIVATIVE INHIBITORS OF LYSYL OXIDASES AND USES THEREOF IDO1, IDO2, INMT GABRG2 4393/4885GABRB3 3548/4885GABRA5 3077/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.